3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide

C17H14N4O2 — CID 135980525

IUPAC3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(O)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-4-2-1-3-5-12)21-14(10-19-16)11-6-8-13(22)9-7-11/h1-10,22H,(H2,18,19)(H,20,23)
InChIKeyQJKUDZZDLFBGDS-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 135980525) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID135980525
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(O)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-4-2-1-3-5-12)21-14(10-19-16)11-6-8-13(22)9-7-11/h1-10,22H,(H2,18,19)(H,20,23)
InChIKeyQJKUDZZDLFBGDS-UHFFFAOYSA-N
XLogP2.68
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[(4-Hydroxyphenethyl)amino]-4-(m-tolylamino)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide (CID 135980525) is 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(O)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is QJKUDZZDLFBGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-4-2-1-3-5-12)21-14(10-19-16)11-6-8-13(22)9-7-11/h1-10,22H,(H2,18,19)(H,20,23).
What are the key properties of 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 135980525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).